SCHEMBL23866390

SCHEMBL23866390

c1ccc2c(c1)[nH]c1cc3c4ccccc4c4ccccc4n3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GPR3 P46089 2/20 0.45
HSD17B10 Q99714 2/20 0.45
AHR P35869 2/20 0.44
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NTRK1 P04629 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
KIF11 P52732 5/20 0.38
IMPDH2 P12268 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17033393 0.82 CDK4 (0.48) ALDH1A1GPR3HSD17B10AHRKDM4E
SCHEMBL24161464 0.80 AHR (0.52) ALDH1A1GPR3HSD17B10AHRKDM4E
SCHEMBL20367731 0.80 AHR (0.31) ALDH1A1GPR3HSD17B10AHRKDM4E
SCHEMBL23728209 0.79 AHR (0.50) ALDH1A1GPR3HSD17B10AHRKDM4E
SCHEMBL17033384 0.78 CDK4 (0.46) ALDH1A1GPR3HSD17B10AHRKDM4E
SCHEMBL16850413 0.78 AHR (0.53) ALDH1A1GPR3HSD17B10AHRKDM4E
SCHEMBL17033430 0.78 AHR (0.53) ALDH1A1GPR3HSD17B10AHRKDM4E
SCHEMBL22722302 0.76 ALDH1A1 (0.52) ALDH1A1GPR3HSD17B10AHRKDM4E
SCHEMBL23728401 0.76 AHR (0.55) ALDH1A1GPR3HSD17B10AHRKDM4E
SCHEMBL17033387 0.76 KIF11 (0.51) ALDH1A1GPR3HSD17B10AHRKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11495751-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-11-08 US disclosed
US-20210305518-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210305518-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ALDH1A1 473/4885GPR3 4050/4885HSD17B10 3319/4885
US-11495751-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM ALDH1A1 473/4885GPR3 4050/4885HSD17B10 3319/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.